Tue Jul 05 12:13:19.193 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Tue Jul 05 12:13:19.196 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\E4_EUOS_Plate10_E4\1\pdata\1
Tue Jul 05 12:13:19.203 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Tue Jul 05 12:13:19.207 CEST 2022: TD: 32768 SI: 65536 SW: 13.663
Tue Jul 05 12:13:19.210 CEST 2022: PT/PPM: 4796.3850 PT/Hz: 7.9953
Tue Jul 05 12:13:19.826 CEST 2022: No HSQC data available
Tue Jul 05 12:13:19.838 CEST 2022: No C13 data available
Tue Jul 05 12:13:19.850 CEST 2022: No HMBC data available
Tue Jul 05 12:13:19.857 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Tue Jul 05 12:13:19.877 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Tue Jul 05 12:13:19.974 CEST 2022: Structure is used: true
Tue Jul 05 12:13:19.977 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/E4_EUOS_Plate10_E4/1/E4_EUOS_Plate10_E4-cf5f3b90-6ae6-4e1b-b88c-acb02e33e359.mol
Tue Jul 05 12:13:19.980 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.10 s.
Tue Jul 05 12:13:19.991 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Tue Jul 05 12:13:19.994 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Tue Jul 05 12:13:19.996 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Tue Jul 05 12:13:19.999 CEST 2022: Spectrum is not 13C decoupled.
Tue Jul 05 12:13:20.001 CEST 2022: Spectrum does not contain ERETIC signal.
Tue Jul 05 12:13:20.004 CEST 2022: Spectrum is suppressed.
Tue Jul 05 12:13:20.006 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Tue Jul 05 12:13:20.011 CEST 2022: Suppression frequencies at: 4.661 
Tue Jul 05 12:13:20.012 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Tue Jul 05 12:13:20.016 CEST 2022: Expected impurity: TMS
Tue Jul 05 12:13:20.019 CEST 2022: Expected impurity: DMSO_D5
Tue Jul 05 12:13:20.021 CEST 2022: Expected impurity: CustomImpurity [isActive=true, identifier=DMSO, protonShiftLimitAPpm=2.6, protonShiftLimitBPpm=2.54, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Tue Jul 05 12:13:20.023 CEST 2022: Expected impurity: CustomImpurity [isActive=true, identifier=DSS, protonShiftLimitAPpm=-0.5, protonShiftLimitBPpm=0.1, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Tue Jul 05 12:13:20.026 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Tue Jul 05 12:13:20.028 CEST 2022: RMSD noise: 18098085.807 (9.415/8.915)
Tue Jul 05 12:13:20.031 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Tue Jul 05 12:13:20.034 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Tue Jul 05 12:13:20.038 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Tue Jul 05 12:13:20.061 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Tue Jul 05 12:13:20.181 CEST 2022: Number of Peaks: (95, 16)
Tue Jul 05 12:13:20.207 CEST 2022: Elapsed time for evaluation (PP Suite): 0.14 s.
Tue Jul 05 12:13:20.210 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Tue Jul 05 12:13:20.224 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Tue Jul 05 12:13:20.226 CEST 2022: Signal-to-Noise ratio: 1341.92 (3.593 ppm)
Tue Jul 05 12:13:20.229 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Tue Jul 05 12:13:20.231 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:13:20.233 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.25 s.
Tue Jul 05 12:13:20.268 CEST 2022: Number of Multiplets: 165
Tue Jul 05 12:13:20.270 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.04 s.
Tue Jul 05 12:13:20.330 CEST 2022: Number of Peak Cluster: 30
Tue Jul 05 12:13:20.337 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Tue Jul 05 12:13:20.374 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.03 s.
Tue Jul 05 12:13:20.540 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.16 s.
Tue Jul 05 12:13:20.548 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Tue Jul 05 12:13:20.553 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Tue Jul 05 12:13:20.556 CEST 2022: Number of consistent PNS: 0
Tue Jul 05 12:13:20.559 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Tue Jul 05 12:13:20.564 CEST 2022: Number of consistent PNS: 20
Tue Jul 05 12:13:20.567 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Tue Jul 05 12:13:20.573 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Tue Jul 05 12:13:20.575 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:13:21.341 CEST 2022: Elapsed time for evaluation (BU Suite): 0.78 s.
Tue Jul 05 12:13:21.393 CEST 2022: CMC-assist project state: AutoInconsistent
Tue Jul 05 12:13:21.395 CEST 2022: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Tue Jul 05 12:13:21.764 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.42 s.
Tue Jul 05 12:13:21.767 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:13:21.770 CEST 2022: CMC-q finished in 2.58 s.
